Cas no 60582-27-6 (2-ethyl-3-methylbut-3-enoic acid)

2-Ethyl-3-methylbut-3-enoic acid is an unsaturated carboxylic acid characterized by its branched-chain structure and reactive olefin functionality. This compound is of interest in organic synthesis due to its potential as a versatile intermediate for constructing more complex molecules, such as pharmaceuticals, agrochemicals, or specialty polymers. The presence of both carboxylic acid and alkene groups allows for selective modifications, including esterification, amidation, or addition reactions. Its structural features may also contribute to unique steric and electronic properties, making it valuable in catalytic or material science applications. The compound should be handled under controlled conditions due to its reactivity.
2-ethyl-3-methylbut-3-enoic acid structure
60582-27-6 structure
Product Name:2-ethyl-3-methylbut-3-enoic acid
CAS No:60582-27-6
MF:C7H12O2
MW:128.168982505798
CID:496835
PubChem ID:12861249
Update Time:2025-11-02

2-ethyl-3-methylbut-3-enoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Butenoic acid, 2-ethyl-3-methyl-
    • 2-ethyl-3-methylbut-3-enoic acid
    • Inchi: 1S/C7H12O2/c1-4-6(5(2)3)7(8)9/h6H,2,4H2,1,3H3,(H,8,9)
    • InChI Key: MFRUKTQYPRZEIF-UHFFFAOYSA-N
    • SMILES: OC(C(C(=C)C)CC)=O

Computed Properties

  • Exact Mass: 128.08376
  • Monoisotopic Mass: 128.083729621g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 127
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

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Additional information on 2-ethyl-3-methylbut-3-enoic acid

Comprehensive Guide to 2-Ethyl-3-methylbut-3-enoic acid (CAS No. 60582-27-6): Properties, Applications, and Market Insights

2-Ethyl-3-methylbut-3-enoic acid (CAS No. 60582-27-6) is a versatile unsaturated carboxylic acid with a unique molecular structure that makes it valuable in various industrial and research applications. This compound, also known as 2-ethyl-3-methyl-3-butenoic acid, features a branched carbon chain with both ethyl and methyl substituents, along with a reactive double bond that enhances its chemical reactivity. Its molecular formula is C7H12O2, and it is classified as a monocarboxylic acid derivative.

The growing interest in 2-ethyl-3-methylbut-3-enoic acid stems from its role as a key intermediate in the synthesis of flavors, fragrances, and specialty chemicals. Researchers and manufacturers are increasingly exploring its potential in green chemistry applications, particularly as industries shift toward sustainable and bio-based raw materials. This aligns with current trends in eco-friendly synthesis and renewable feedstocks, making it a relevant topic for scientists and business stakeholders alike.

One of the most searched questions about CAS 60582-27-6 relates to its physical and chemical properties. This compound typically appears as a colorless to pale yellow liquid with a characteristic odor. It has a boiling point of approximately 210–215°C and a density of around 0.95 g/cm3. The presence of the carboxylic acid group and the alkene functionality allows for diverse chemical transformations, including esterification, hydrogenation, and polymerization reactions. These properties make it a valuable building block in organic synthesis.

In the flavor and fragrance industry, 2-ethyl-3-methylbut-3-enoic acid is prized for its ability to contribute fruity and woody notes. It serves as a precursor for esters and lactones used in perfumes, food additives, and household products. With consumers demanding more natural and clean-label ingredients, this compound has gained attention as a potential alternative to synthetic additives. Recent studies have also investigated its use in biodegradable polymers, further expanding its applications in sustainable materials.

The market for 2-ethyl-3-methyl-3-butenoic acid is influenced by several factors, including the growth of the personal care industry and advancements in catalytic processes. Manufacturers are optimizing production methods to improve yield and reduce environmental impact, addressing common search queries about efficient synthesis routes for this compound. Regulatory compliance and safety data are also frequently searched topics, as industries prioritize REACH compliance and worker safety standards.

From a research perspective, CAS 60582-27-6 is being studied for its potential in pharmaceutical intermediates and agrochemicals. Its reactive sites allow for the creation of novel derivatives with tailored properties, making it a subject of interest in medicinal chemistry and crop protection formulations. The compound's stability and solubility profile are often discussed in academic literature, particularly in the context of drug delivery systems and formulation science.

Storage and handling of 2-ethyl-3-methylbut-3-enoic acid require standard precautions for carboxylic acids, including protection from moisture and extreme temperatures. It is typically stored in tightly sealed containers under inert atmospheres to maintain purity. These practical considerations are frequently searched by laboratory technicians and procurement specialists seeking best practices for chemical storage.

In conclusion, 2-ethyl-3-methylbut-3-enoic acid (CAS No. 60582-27-6) represents a multifaceted compound with significant potential across multiple industries. Its applications in flavor chemistry, sustainable materials, and specialty synthesis make it a compelling subject for ongoing research and commercial development. As innovation continues in these fields, the demand for high-quality 2-ethyl-3-methyl-3-butenoic acid is expected to grow, reinforcing its importance in modern chemistry.

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